Y042-5717 Screening compound: 4-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]-N-[2-(2-pyridyl)ethyl]butanamide

Y042-5717 Screening compound: 4-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]-N-[2-(2-pyridyl)ethyl]butanamide
Y042-5717 Screening compound: 4-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]-N-[2-(2-pyridyl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-5717
4-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]-N-[2-(2-pyridyl)ethyl]butanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y042-5717

Molecular Formula

C18H19N5O2 (C18 H19 N5 O2)

Compound Name

4-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]-N-[2-(2-pyridyl)ethyl]butanamide

IUPAC name

4-(4-oxo-34-dihydro-123-benzotriazin-3-yl)-N-[2-(pyridin-2-yl)ethyl]butanamide

SMILES

O=C(CCCN1N=Nc(cccc2)c2C1=O)NCCc1ncccc1

InChI

InChI=1S/C18H19N5O2/c24-17(20-12-10-14-6-3-4-11-19-14)9-5-13-23-18(25)15-7-1-2-8-16(15)21-22-23/h1-4,6-8,11H,5,9-10,12-13H2,(H,20,24)

InChI Key

RYPSYPIZWARQEN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.746

Distribution Coefficient, logD

0.741

Water Solubility, LogSw

-2.01

Polar Surface Area

74.767

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

Y042-5717 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-5717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-5717?
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What is the minimum amount of Y042-5717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-5717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-5717
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y042-5717 available by request